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DISCRETE VARIATIONAL X-ALPHA CLUSTER CALCULATIONS .1. APPLICATION TO METAL CLUSTERS
被引:1021
作者
:
ADACHI, H
论文数:
0
引用数:
0
h-index:
0
机构:
INST MOLEC SCI,OKAZAKI 444,JAPAN
INST MOLEC SCI,OKAZAKI 444,JAPAN
ADACHI, H
[
1
]
TSUKADA, M
论文数:
0
引用数:
0
h-index:
0
机构:
INST MOLEC SCI,OKAZAKI 444,JAPAN
INST MOLEC SCI,OKAZAKI 444,JAPAN
TSUKADA, M
[
1
]
SATOKO, C
论文数:
0
引用数:
0
h-index:
0
机构:
INST MOLEC SCI,OKAZAKI 444,JAPAN
INST MOLEC SCI,OKAZAKI 444,JAPAN
SATOKO, C
[
1
]
机构
:
[1]
INST MOLEC SCI,OKAZAKI 444,JAPAN
来源
:
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
|
1978年
/ 45卷
/ 03期
关键词
:
D O I
:
10.1143/JPSJ.45.875
中图分类号
:
O4 [物理学];
学科分类号
:
0702
[物理学]
;
摘要
:
引用
收藏
页码:875 / 883
页数:9
相关论文
共 38 条
[1]
DIRAC-SLATER MODEL CALCULATIONS OF IONIZATION ENERGIES FOR CESIUM-HALIDE MOLECULES
[J].
ADACHI, H
论文数:
0
引用数:
0
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OSAKA UNIV,DEPT NUCL ENGN,SUITA,OSAKA 565,JAPAN
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;
ROSEN, A
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0
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OSAKA UNIV,DEPT NUCL ENGN,SUITA,OSAKA 565,JAPAN
ROSEN, A
;
ELLIS, DE
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0
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0
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OSAKA UNIV,DEPT NUCL ENGN,SUITA,OSAKA 565,JAPAN
ELLIS, DE
.
MOLECULAR PHYSICS,
1977,
33
(01)
:199
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[2]
ADACHI H, 1977, T JAPAN I METALS, V18, P376
[3]
MOLECULAR-ORBITAL STUDIES OF DISSOCIATIVE CHEMISORPTION OF FIRST PERIOD DIATOMIC-MOLECULES AND ETHYLENE ON (100) W AND NI SURFACES
[J].
ANDERSON, AB
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
ANDERSON, AB
;
HOFFMANN, R
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CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
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JOURNAL OF CHEMICAL PHYSICS,
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EFFICIENT NUMERICAL MULTICENTER BASIS SET FOR MOLECULAR-ORBITAL CALCULATIONS - APPLICATION TO FECL4
[J].
AVERILL, FW
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Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure
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Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
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Ellis, D. E.
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Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
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[J].
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[J].
BAERENDS, EJ
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0
引用数:
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机构:
VRIJE UNIV AMSTERDAM,SCHEIKUNDIG LAB,DE BOELELAAN 1083,AMSTERDAM,NETHERLANDS
VRIJE UNIV AMSTERDAM,SCHEIKUNDIG LAB,DE BOELELAAN 1083,AMSTERDAM,NETHERLANDS
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[J].
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WALKER, TEH
.
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:3645
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[9]
LIMITED EXPANSION OF DIATOMIC OVERLAP (LEDO) - NEAR-ACCURATE APPROXIMATE AB-INITIO LCAO MO METHOD .1. THEORY AND PRELIMINARY INVESTIGATIONS
[J].
BILLINGS.FP
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;
BLOOR, JE
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BLOOR, JE
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JOURNAL OF CHEMICAL PHYSICS,
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(11)
:5178
-&
[10]
CNDO CALCULATIONS OF NICKEL ATOM CLUSTERS
[J].
BLYHOLDER, G
论文数:
0
引用数:
0
h-index:
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机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
BLYHOLDER, G
.
SURFACE SCIENCE,
1974,
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(01)
:249
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←
1
2
3
4
→
共 38 条
[1]
DIRAC-SLATER MODEL CALCULATIONS OF IONIZATION ENERGIES FOR CESIUM-HALIDE MOLECULES
[J].
ADACHI, H
论文数:
0
引用数:
0
h-index:
0
机构:
OSAKA UNIV,DEPT NUCL ENGN,SUITA,OSAKA 565,JAPAN
ADACHI, H
;
ROSEN, A
论文数:
0
引用数:
0
h-index:
0
机构:
OSAKA UNIV,DEPT NUCL ENGN,SUITA,OSAKA 565,JAPAN
ROSEN, A
;
ELLIS, DE
论文数:
0
引用数:
0
h-index:
0
机构:
OSAKA UNIV,DEPT NUCL ENGN,SUITA,OSAKA 565,JAPAN
ELLIS, DE
.
MOLECULAR PHYSICS,
1977,
33
(01)
:199
-205
[2]
ADACHI H, 1977, T JAPAN I METALS, V18, P376
[3]
MOLECULAR-ORBITAL STUDIES OF DISSOCIATIVE CHEMISORPTION OF FIRST PERIOD DIATOMIC-MOLECULES AND ETHYLENE ON (100) W AND NI SURFACES
[J].
ANDERSON, AB
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
ANDERSON, AB
;
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,ITHACA,NY 14850
HOFFMANN, R
.
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(11)
:4545
-4559
[4]
EFFICIENT NUMERICAL MULTICENTER BASIS SET FOR MOLECULAR-ORBITAL CALCULATIONS - APPLICATION TO FECL4
[J].
AVERILL, FW
论文数:
0
引用数:
0
h-index:
0
机构:
NORTHWESTERN UNIV,DEPT MAT SCI,EVANSTON,IL 60201
AVERILL, FW
;
ELLIS, DE
论文数:
0
引用数:
0
h-index:
0
机构:
NORTHWESTERN UNIV,DEPT MAT SCI,EVANSTON,IL 60201
ELLIS, DE
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
59
(12)
:6412
-6418
[5]
Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure
[J].
Baerends, E. J.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Baerends, E. J.
;
Ellis, D. E.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ellis, D. E.
;
Ros, P.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ros, P.
.
CHEMICAL PHYSICS,
1973,
2
(01)
:41
-51
[6]
Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules
[J].
Baerends, E. J.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Baerends, E. J.
;
Ros, P.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ros, P.
.
CHEMICAL PHYSICS,
1973,
2
(01)
:52
-59
[7]
ELECTRONIC-STRUCTURE OF TRANSITION-METAL CARBONYL-COMPLEXES - COMPARISON OF HARTREE-FOCK-SLATER CALCULATIONS WITH UV PHOTOELECTRON-SPECTRA AND IR AND RAMAN DATA
[J].
BAERENDS, EJ
论文数:
0
引用数:
0
h-index:
0
机构:
VRIJE UNIV AMSTERDAM,SCHEIKUNDIG LAB,DE BOELELAAN 1083,AMSTERDAM,NETHERLANDS
VRIJE UNIV AMSTERDAM,SCHEIKUNDIG LAB,DE BOELELAAN 1083,AMSTERDAM,NETHERLANDS
BAERENDS, EJ
;
ROS, P
论文数:
0
引用数:
0
h-index:
0
机构:
VRIJE UNIV AMSTERDAM,SCHEIKUNDIG LAB,DE BOELELAAN 1083,AMSTERDAM,NETHERLANDS
VRIJE UNIV AMSTERDAM,SCHEIKUNDIG LAB,DE BOELELAAN 1083,AMSTERDAM,NETHERLANDS
ROS, P
.
MOLECULAR PHYSICS,
1975,
30
(06)
:1735
-1747
[8]
PES OF HIGH-TEMPERATURE VAPORS .4. CESIUM HALIDES - EFFECT OF SPIN-ORBIT INTERACTION ON PHOTOELECTRON AND MASS-SPECTRA OF ALKALI-HALIDES
[J].
BERKOWITZ, J
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB, ARGONNE, IL 60439 USA
BERKOWITZ, J
;
DEHMER, JL
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB, ARGONNE, IL 60439 USA
DEHMER, JL
;
WALKER, TEH
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB, ARGONNE, IL 60439 USA
WALKER, TEH
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
59
(07)
:3645
-3653
[9]
LIMITED EXPANSION OF DIATOMIC OVERLAP (LEDO) - NEAR-ACCURATE APPROXIMATE AB-INITIO LCAO MO METHOD .1. THEORY AND PRELIMINARY INVESTIGATIONS
[J].
BILLINGS.FP
论文数:
0
引用数:
0
h-index:
0
BILLINGS.FP
;
BLOOR, JE
论文数:
0
引用数:
0
h-index:
0
BLOOR, JE
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(11)
:5178
-&
[10]
CNDO CALCULATIONS OF NICKEL ATOM CLUSTERS
[J].
BLYHOLDER, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
BLYHOLDER, G
.
SURFACE SCIENCE,
1974,
42
(01)
:249
-260
←
1
2
3
4
→